sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks AM-679

AM-679

CAS No.:
1206880-66-1
Catalog Number:
AG008TDE
Molecular Formula:
C40H44N4O5S
Molecular Weight:
692.8662
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$490
- +
10mg
99%
1 week
United States
$616
- +
50mg
99%
1 week
United States
$1566
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG008TDE
Chemical Name:
AM-679
CAS Number:
1206880-66-1
Molecular Formula:
C40H44N4O5S
Molecular Weight:
692.8662
MDL Number:
MFCD20527236
IUPAC Name:
3-[5-[[(2S)-1-acetyl-2,3-dihydroindol-2-yl]methoxy]-3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidin-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C40H44N4O5S/c1-25(45)44-29(18-28-10-8-9-11-33(28)44)24-49-30-16-17-34-32(19-30)36(50-39(2,3)4)35(20-40(5,6)38(46)47)43(34)23-26-12-14-27(15-13-26)37-41-21-31(48-7)22-42-37/h8-17,19,21-22,29H,18,20,23-24H2,1-7H3,(H,46,47)/t29-/m0/s1
InChI Key:
VYXWHVDEWWHDLH-LJAQVGFWSA-N
SMILES:
COc1cnc(nc1)c1ccc(cc1)Cn1c2ccc(cc2c(c1CC(C(=O)O)(C)C)SC(C)(C)C)OCC1Cc2c(N1C(=O)C)cccc2
UNII:
65KJ8P7M9D
Properties
Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
692.303g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
692.875g/mol
Monoisotopic Mass:
692.303g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  
Literature
Title Journal
5-Lipoxygenase-activating protein inhibitors. Part 2: 3-{5-((S)-1-Acetyl-2,3-dihydro-1H-indol-2-ylmethoxy)-3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid (AM679)--a potent FLAP inhibitor. Bioorganic & medicinal chemistry letters 20100101
Properties